3NQI

Crystal structure of a Putative lipoprotein (BF3042) from Bacteroides fragilis NCTC 9343 at 1.87 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-05
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97939,0.91837,0.97922
Spacegroup name	C 1 2 1
Unit cell lengths	157.490, 77.227, 97.406
Unit cell angles	90.00, 103.85, 90.00

Refinement procedure

Resolution	47.287 - 1.870
R-factor	0.192
Rwork	0.191
R-free	0.22000
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.491
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.287	47.287	1.940
High resolution limit [Å]	1.870	4.020	1.870
Rmerge	0.071	0.035	0.753
Number of reflections	93428	9436	9708
<I/σ(I)>	10.85	30.4	2.1
Completeness [%]	99.6	97.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	293	36.0000% polyethylene glycol 400, 0.1000M Cadmium Chloride, 0.1M sodium acetate pH 5.1, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K